N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide

C9H13F3N2O2 — CID 60949181

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESC=CC(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c1-4-7(15)14(6-9(10,11)12)5-8(16)13(2)3/h4H,1,5-6H2,2-3H3
InChIKeyNCHYDLQOPLKRKH-UHFFFAOYSA-N
MW238.21 g/mol
LogP0.65
Rot. Bonds4

About N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide

N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide (PubChem CID 60949181) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide
PubChem CID60949181
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESC=CC(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c1-4-7(15)14(6-9(10,11)12)5-8(16)13(2)3/h4H,1,5-6H2,2-3H3
InChIKeyNCHYDLQOPLKRKH-UHFFFAOYSA-N
XLogP0.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide (CID 60949181) is N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide is C=CC(=O)N(CC(=O)N(C)C)CC(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The InChIKey is NCHYDLQOPLKRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-4-7(15)14(6-9(10,11)12)5-8(16)13(2)3/h4H,1,5-6H2,2-3H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide?
N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide has a molecular weight of 238.21 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide is sourced from PubChem (CID 60949181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).